UCSF

ZINC37814682

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 5.05 -36.93 2 4 1 46 259.395 6
Mid Mid (pH 6-8) 0.99 3.76 -6.64 1 4 0 42 258.387 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )